Compound Identification
SMILES
CN1CCC2=C(C1)SC1=C2C(=O)N(C2=NN=C(SCC3OCCO3)N12)C1=CC=CC=C1
InChIKey
InChIKey=WHECDQVDODHGQZ-UHFFFAOYSA-N
Formula
C21H21N5O3S2
Mass
455.55
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Triazolopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Triazolopyrimidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Triazolopyrimidines
Alternative Parents
Thienopyrimidines Pyrimidones Alkylarylthioethers Aralkylamines Benzene and substituted derivatives Vinylogous amides Triazoles Thiophenes 1,3-dioxolanes Heteroaromatic compounds Trialkylamines Lactams Sulfenyl compounds Acetals Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triazolopyrimidine - Thienopyrimidine - Aryl thioether - Alkylarylthioether - Aralkylamine - Pyrimidone - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Triazole - Vinylogous amide - Thiophene - Azole - Meta-dioxolane - 1,2,4-triazole - Tertiary amine - Tertiary aliphatic amine - Lactam - Acetal - Oxacycle - Azacycle - Sulfenyl compound - Thioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as triazolopyrimidines. These are polycyclic aromatic compounds containing triazole ring fused to a pyrimidine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors
Not available